BDBM45821 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid::MLS-0091974.0001::cid_940540

SMILES OC(=O)c1cc(n[nH]1)-c1ccc(F)cc1

InChI Key InChIKey=FDNYHBASQZFVBL-UHFFFAOYSA-N

Data  4 KI  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 45821   

TargetAlkaline phosphatase, tissue-nonspecific isozyme(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM45821(cid_940540 | MLS-0091974.0001 | 3-(4-fluorophenyl)...)
Affinity DataIC50: 4.74E+3nMAssay Description:Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (SBMRI, San Diego, CA) NIH Molecular Libraries Screen...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2011
Entry Details
PCBioAssay
TargetReplication protein A 70 kDa DNA-binding subunit(Human)
Vanderbilt University School of Medicine

Curated by ChEMBL
LigandPNGBDBM45821(cid_940540 | MLS-0091974.0001 | 3-(4-fluorophenyl)...)
Affinity DataKd:  1.12E+6nMAssay Description:Binding affinity to RPA70N (1 to 120) site2 (unknown origin) expressed in Escherichia coli BL21-DE3 cells by NMR spectroscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/25/2014
Entry Details Article
PubMed
TargetCarbonic anhydrase 12(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM45821(cid_940540 | MLS-0091974.0001 | 3-(4-fluorophenyl)...)
Affinity DataKi:  3.85E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM45821(cid_940540 | MLS-0091974.0001 | 3-(4-fluorophenyl)...)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 2(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM45821(cid_940540 | MLS-0091974.0001 | 3-(4-fluorophenyl)...)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed
TargetCarbonic anhydrase 9(Human)
University of Belgrade

Curated by ChEMBL
LigandPNGBDBM45821(cid_940540 | MLS-0091974.0001 | 3-(4-fluorophenyl)...)
Affinity DataKi: >5.00E+4nMAssay Description:Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2016
Entry Details Article
PubMed